We present a calculation of the electronic and optical properties of the GaAs(110) : H surface performed within the first-principles density functional theory (DFT) in the local density approximation (LDA). The geometry and electronic structure are analyzed and compared with those of the clean surface. The reflectance anisotropy spectrum and the differential reflectivity are then computed. Taking into account the usual underestimation of the LDA gaps with respect to the experimental values, the comparison between our theoretical spectra with available experimental reflectance data shows a satisfactory agreement, allowing for the interpretation of the main structures in terms of electronic transitions.

Theoretical study of the surface optical properties of clean and hydrogenated GaAs(110) / O. Pulci, M. Palummo, A. Shkrebtii, G. Onida, R. Del Sole. - In: PHYSICA STATUS SOLIDI. A, APPLIED RESEARCH. - ISSN 0031-8965. - 175:1(1999), pp. 71-76.

Theoretical study of the surface optical properties of clean and hydrogenated GaAs(110)

G. Onida
Penultimo
;
1999

Abstract

We present a calculation of the electronic and optical properties of the GaAs(110) : H surface performed within the first-principles density functional theory (DFT) in the local density approximation (LDA). The geometry and electronic structure are analyzed and compared with those of the clean surface. The reflectance anisotropy spectrum and the differential reflectivity are then computed. Taking into account the usual underestimation of the LDA gaps with respect to the experimental values, the comparison between our theoretical spectra with available experimental reflectance data shows a satisfactory agreement, allowing for the interpretation of the main structures in terms of electronic transitions.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/186533
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